SCHEMBL524762

SCHEMBL524762

CCCOC(=O)C(C)=CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.34
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLO1 Q04760 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16868400 1.00 CYP2C9 (0.41) CYP2C9HCAR2TSHRALDH1A1THRB
Ammonia Solution, Strong SCHEMBL28001098 0.98 CYP2C9 (0.40) CYP2C9HCAR2TSHRALDH1A1THRB
Acrylic Acid SCHEMBL28238869 0.90 HCAR2 (0.40) CYP2C9HCAR2TSHRTHRBGAA
SCHEMBL1466445 0.89 ALDH1A1 (0.50) CYP2C9HCAR2TSHRALDH1A1SMN1; SMN2
SCHEMBL15174812 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL15174052 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL15174428 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL15174644 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL29787019 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM
SCHEMBL15174689 0.85 TSHR (0.56) HCAR2TSHRALDH1A1LMNAATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 502 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251617-A Cationic contact lenses 库博光学国际有限公司 2024-06-25 CN claimed
CN-118112042-A Safety evaluation method and evaluation device for polymer-based in-situ curing battery material 清华大学 2024-05-31 CN claimed
CN-117850088-A Ultrathin flexible polarizing cover plate, preparation method thereof and touch display device 深圳市鑫晶科光电设备有限公司 2024-04-09 CN claimed
CN-117624428-A Cationic polymer and preparation method and application thereof 华南理工大学 2024-03-01 CN claimed
CN-113646397-B Organic resins bearing tertiary amine and carboxylic acid groups for two-component crosslinkable compositions and aqueous dispersions containing the same 阿科玛法国公司 2024-03-01 CN claimed
CN-117430159-A High-refractive-index precursor liquid, preparation method and application thereof 西安思摩威新材料有限公司 2024-01-23 CN claimed
CN-116926951-A Antibacterial cotton fabric based on thymol and preparation method thereof 华南理工大学 2023-10-24 CN claimed
CN-116391140-A Cationic contact lens 库博光学国际有限公司 2023-07-04 CN claimed
US-20220106530-A1 NOVEL ALKYLATED, AMINATED AND ALKOXYLATED MACROMOLECULES WITH INTEGRATED TRIFUNCTIONAL PROPERTIES FOR THE REMOVAL OF PETROLEUM EMULSIONS INSTITUTO MEXICANO DEL PETROLEO (MX) 2022-04-07 US claimed
US-20210369607-A1 Antimicrobial Contact Lenses KeraMed, Inc. (US) 2021-12-02 US claimed
CN-102648238-A Hydrolytically stable multi-purpose polymers LUBRIZOL ADVANCED MAT INC 2012-08-22 CN claimed
CN-102639575-A Hydrolytically stable multi-purpose polymers LUBRIZOL ADVANCED MAT INC 2012-08-15 CN claimed
CN-100429285-C Coating composition DOW CORNING TORAY CO LTD (JP) 2008-10-29 CN claimed
US-20070244018-A1 Star Polymers and Compositions Thereof THE LUBRIZOL CORPORATION 2007-10-18 US claimed
EP-1833868-A2 STAR POLYMERS AND COMPOSITIONS THEREOF THE LUBRIZOL CORPORATION (US) 2007-09-19 EP claimed
WO-2006047398-A2 STAR POLYMERS AND COMPOSITIONS THEREOF THE LUBRIZOL CORPORATION (US) 2006-05-04 WO claimed
US-6096345-A Composition of an active component and free flowing particles of a polysaccharide matrix having significantly improved water dispersibility and stability in aqueous solutions ISP INVESTMENTS INC. (US) 2000-08-01 US claimed
WO-1999037285-A1 WATER DISPERSIBLE POLYSACCHARIDE PARTICLES ISP INVESTMENTS INC. (US) 1999-07-29 WO claimed
US-4972036-A PIGMENT GRINDING VEHICLES, VEHICLES FOR THERMOSETTING COATINGS HI-TEK POLYMERS, INC. (US) 1990-11-20 US claimed
US-4675252-A Base material having a dyed membrane on the surface thereof, and method for dyeing a membrane thereon NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-06-23 US claimed